CID 53644335

109791-18-6

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)COCCO)O
InChI
InChI=1S/C15H25NO4/c1-12(2)16-9-14(18)11-20-15-5-3-13(4-6-15)10-19-8-7-17/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKey
AIGGWEPYIOOYLI-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 168.5
[M+Na]+ 306.16756 176.6
[M+NH4]+ 301.21216 173.9
[M+K]+ 322.14150 172.1
[M-H]- 282.17106 168.4
[M+Na-2H]- 304.15301 171.3
[M]+ 283.17779 169.2
[M]- 283.17889 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.